In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 4th, 2011 | 27 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.14 | 4.56 | -11.94 | 3 | 7 | 0 | 111 | 380.477 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.14 | 6.37 | -56.01 | 4 | 7 | 1 | 116 | 381.485 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.14 | 5.3 | -24.72 | 4 | 7 | 0 | 112 | 381.485 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.